5BWF

Crystal structure of the beta-glucosidase from Trichoderma harzianum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	P 61
Unit cell lengths	218.241, 218.241, 84.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.250 - 2.600
R-factor	0.1781
Rwork	0.176
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ahy
RMSD bond length	0.003
RMSD bond angle	0.703
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.250		2.760
High resolution limit [Å]	2.600	7.710	2.600
Rmerge	0.218	0.068	0.786
Rmeas	0.248	0.076	0.935
Total number of observations	599403
Number of reflections	71026	5262	21293
<I/σ(I)>	7.06	22.61	1.56
Completeness [%]	98.6	98.9	95.1
Redundancy	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	2 M ammonium sulphate 0.1 M sodium acetate pH 5.5 2% (v/v) PEG400